N-[(1-cyclohexylpyrazol-3-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine

C16H24N4S — CID 64799570

IUPACN-[(1-cyclohexylpyrazol-3-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine
SMILESCCC(NCc1ccn(C2CCCCC2)n1)c1nccs1
InChIInChI=1S/C16H24N4S/c1-2-15(16-17-9-11-21-16)18-12-13-8-10-20(19-13)14-6-4-3-5-7-14/h8-11,14-15,18H,2-7,12H2,1H3
InChIKeyRLMGIYIIJVBNGF-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.09
Rot. Bonds6

About N-[(1-cyclohexylpyrazol-3-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine

N-[(1-cyclohexylpyrazol-3-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine (PubChem CID 64799570) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[(1-cyclohexylpyrazol-3-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(1-cyclohexylpyrazol-3-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine
PubChem CID64799570
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC NameN-[(1-cyclohexylpyrazol-3-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine
SMILESCCC(NCc1ccn(C2CCCCC2)n1)c1nccs1
InChIInChI=1S/C16H24N4S/c1-2-15(16-17-9-11-21-16)18-12-13-8-10-20(19-13)14-6-4-3-5-7-14/h8-11,14-15,18H,2-7,12H2,1H3
InChIKeyRLMGIYIIJVBNGF-UHFFFAOYSA-N
XLogP4.09
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1-cyclohexylpyrazol-3-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-cyclohexylpyrazol-3-yl)methyl]pentan-3-amine
CID 64799267
N-[(1-cyclopentylpyrazol-3-yl)methyl]butan-2-amine
CID 64801770
1-(1-cyclopentylpyrazol-3-yl)-N-ethylbutan-2-amine
CID 64779577
1-(1-cyclohexylpyrazol-3-yl)-N-propylbutan-2-amine
CID 64779979
1-cyclohexyl-3-ethylpyrazole
CID 66014335
N-[(1-cyclopentylpyrazol-3-yl)methyl]heptan-2-amine
CID 64801633
1-(1-cyclohexylpyrazol-3-yl)-N-ethoxymethanamine
CID 64975019
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methoxypropan-2-amine
CID 64800620
2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-pyrimidin-2-ylethanamine
CID 64778210
methyl 2-[(1-cyclohexylpyrazol-3-yl)methylamino]propanoate
CID 64800870
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(2-ethylpyrazol-3-yl)ethanamine
CID 19625592
1-(2-cyclohexylpyrazol-3-yl)-3-[1-(1,3-thiazol-2-yl)propyl]urea
CID 56794173

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclohexylpyrazol-3-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of N-[(1-cyclohexylpyrazol-3-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine (CID 64799570) is N-[(1-cyclohexylpyrazol-3-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for N-[(1-cyclohexylpyrazol-3-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for N-[(1-cyclohexylpyrazol-3-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine is CCC(NCc1ccn(C2CCCCC2)n1)c1nccs1.
What is the InChIKey of N-[(1-cyclohexylpyrazol-3-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is RLMGIYIIJVBNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-2-15(16-17-9-11-21-16)18-12-13-8-10-20(19-13)14-6-4-3-5-7-14/h8-11,14-15,18H,2-7,12H2,1H3.
What are the key properties of N-[(1-cyclohexylpyrazol-3-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine?
N-[(1-cyclohexylpyrazol-3-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 304.46 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclohexylpyrazol-3-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 64799570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).